- C.W. Bale - htdocs\fact\facthelp Home PC 27-Sep-2015>
What's New in FactSage 7.0 |
(October 2015)
The FactSage 7.0 Update/Installation program permits you to upgrade/refresh any version of FactSage to FactSage 7.0. You can also install FactSage 7.0 directly on to a new PC.
With the new additions and extensive modifications FactSage 7.0 is a major update to the FactSage package. The total number of files is now over 12,000 (was 7,000). The major version number has been changed from 6 to 7 because the solution database structure has been completely rewritten. Old solution *soln.sda files in 6.4 will no longer be accessible - they have been replaced by the new *soln.sln and *soln.sdc formatted databases. The modules that access the solution databases (View Data, Equilib, Phase Diagram) have been programmed to access the new solution database structure.
What follows is a list of the more important programming, database and documentation changes in FactSage 7.0 (2015) with respect to FactSage 6.4 (May 2013).
For the latest news about FactSage 7.0 including items not presented here as well as any known 'bugs' and other issues go to www.FactSage.com > 'FactSage 7.0 ~ News ~' |
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FactSage dongle status - When a valid HASP dongle is attached to a USB port on the computer you are able to run a standalone version of FactSage. If FactSage issues an error message about a 'missing or invalid FactSage HASP security key' it goes into the FactSage SetUp mode with a green screen. There are several factors that can cause this to happen.
There is a new feature in FactSage 7.0 which displays the status of the FactSage dongle attached to the computer.
This helps you to diagnose the source of the error message.
The 'FactSage dongle status' Window shown here is for an installation where a valid FactSage dongle is attached and everything is in order (i.e. 1 - 5. All OK). |
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The FactSage 7.0 Installation program enables you to update/refresh FactSage 7.0 software,
documentation and databases to the full FactSage 7.0 package.
You can update/refresh a FactSage Standalone computer or a Network Server. In the case of a network installation it is only necessary to update/refresh the Network Server. |
IMPORTANT: Please read before selecting the option 'Update existing FactSage installation'.
If you select this 'Update' option to overwrite a FactSage 6.4 (or earlier) installation with the software and databases of FactSage 7.0, this may lead to unintended consequences:
To avoid these consequences, we recommend that you keep your current FactSage 6.4 installation and select 'New Factsage installation' and install FactSage 7.0 in a new folder (directory).
Almost 200 new slides have been added to the ferrous presentations to bring the total to over 400 slides. The single presentation has been split into 5 new slide shows :
In FactSage 7.0 the solution file structures have been reformatted. The old solution files (*.dat, *.sdb, *.sda) have been replaced by two new files :
In FactSage 7.0 with the Solution module :
Summary:
Or, you can convert the old files to new *soln.sln files and take advantage of the new options and features including advanced database error checking. At any time you can convert (or refresh) old files (*.dat and *.sdb files) to new files (*soln.sln) and thus use this means to check the validity of the old files.
See Solution below for more details on how to create and access the new solution databases.
In FactSage 6.4 and earlier versions it was not possible to run the Solution program under Windows Vista, Windows 7 and Windows 8.
This problem has been resolved and it is no longer an issue. |
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The Solution module has been completely rewritten and replaces the old module that was programmed over a decade ago.
Old private text data *.dat files (e.g. Solution.dat, ExamSoln.dat) and old private binary data *.sdb files (e.g. UserSoln.sdb, PrivSoln.sdb) are still accessible in FactSage calculations (View Data, Equilib, Phase Diagram) but cannot be directly edited in the Solution module. However, old data may be imported by the Solution module into the new structure and saved as a new private text *soln.sln files (e.g. Copysoln.sln, MyTestsoln.sln).
Data can be entered and stored using the following solution models: One-sublattice polynomial model (simple, Redlich-Kister or Legendre polynomials, with interpolations to multicomponent systems using Muggianu, Kohler or Toop methods), Compound Energy Formalism with up to 5 sublattices, Two-sublattice polynomial model with or without short-range-ordering, One-sublattice Modified Quasichemical Model, Two-sublattice Modified Quasichemical Model including coupling between first- and second-nearest-neighbor short-range-ordering, Ionic Liquid Model, Unified Interaction Parameter Formalism (corrected Wagner formalism), Pitzer model.
The Solution module has other new features including :
Details of the Solution module are presented in the new Solution Slide Show (202 pages). See the first pages of the Solution Slide Show for a description of all the models. |
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from the old ExamSoln.dat examples database into the new Copysoln.sln database. |
Solution Dropdown Menu
Prior to 7.0 it was not possible to list all the phases in a solution database.
In FactSage 7.0 the search option for 'all' elements is now included.
With the new 'Sort Solutions' dropdown menu it is also possible :
to display all the solutions and sort the phases :
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with a restriction on the output :
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Solution Data
In FactSage 7.0 it is possible to display the solution data (interactions and expressions) that have
been stored in a private database (i.e. soln*.sln file).
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Some solid and liquid compound and aqueous species only have limited data at 25 C
- for example the Gibbs energy of formation at 298.15 K is known but not the Cp and enthalpy data.
In FactSage 6.4 (and earlier) it was possible to include such compounds with limited data in the calculations at 25C. In Predom, EhpH, Equilib and Phase Diagram click on 'Data Search' and check 'limited data compounds (25C)' |
In FactSage 7.0 such species are no longer retrieved when scanning the databases in
Predom, EhpH, Equilib and Phase Diagram calculations.
This is because these limited data species cause confusion and potential errors
when comparing results at different temperatures as they are either being brought into calculation (at 25 C)
or dropped from the calculation (when not at 25 C).
In most cases the species are unimportant anyway.
However limited data compounds can still be accessed using the View Data and Reaction modules. |
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Gaseous ions (plasmas)
Gaseous ion concentrations are only significant at high temperatures and only meaningful in plasma calculations. Gaseous ions add a component (the electron) to the calculation and increase the total number of gaseous species. This increases slightly the calculation time because Debye Shielding is also taken into account.
In FactSage 7.0 calculations are now permitted up to 35 000 K (was 20 000 K). However all the data for Cp are extrapolated from 6 000 K or even lower. For most practical calculations gaseous ions have no effect and so it is safe not to include them in the data search.
Click on the units menu to enter the Units Window you can select either 'Metric SI units' or 'English units'. For example:
In FactSage 7.0 it is now possible to mix the units and select various combination, for example :
All the macro files stored in the /MACROS folder have been checked with FactSage 7.0 and the files updated where necessary.
If you unfamiliar with macro processing go to the Reactants Window, click on 'File > Macro processing > Run macro > Macros Directory ...' and select EquiEx_SET_Variables.mac.
If you want to see the hidden generated information when you load and run one of your saved Equi*.dat files then select EquiEx_List_Results.mac and specify the Equi*.dat file.
For an example of how to open and interact (read and write) with an Excel Worksheet (.Xls and .xlsx files) and a Text Spreadsheet then select EquiEx_Xls_Simple_IO.mac.
For a complete list of examples click on 'File > Macro processing > Macro Processing - Examples ...'.
1. New Organisation and Documentation
The Macro Processing program has been reorganised, terminology has been simplified,
new commands and functions have been introduced,
and new documents have been added.
Examples of the new commands and functions are given in the macro EquiEx_New_in_7.0.mac. The system $Variables have been integrated into $Functions. This has no effect on the macro files. Compressed multi-word terminology for commands and functions such as SHELLEXECUTE SHOWLASTPD $FILESHORTDIR etc. have been expanded into SHELL_EXECUTE SHOW_LAST_PD $FILE_SHORT_DIR etc. in order to improve readability. The changes are backward compatible - i.e. the old terminology still works. A new document, Macro Processing - Summary, has been added to the menu. This summarizes all the macro variables, functions and commands that are available in macro processing. A new document, Macro Processing - Examples, has been added to the menu. This lists the examples and introduces all the Equilib macro files (EquiEx*.mac) that are stored in the Macros folder (typically 'c:\FactSage\Macros\'). |
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2. New Commands
2.1 DEBUG
The new command DEBUG /ON activates the debug mode and displays the DEBUG Macro Window
which lists the current values of all user-defined %variables.
Each time a DEBUG command is issued the DEBUG Macro Window is updated with the current values.
It is hoped that this will become a valuable tool in macro processing development.
As an example, load and run the macro file EquiEx_New_in_7.0.mac that is stored in the Macros folder.
DEBUG /ON // Activates the DEBUG Macro Window DEBUG /OFF // Deactivates the debug mode // - this is the default setting. DEBUG 'caption' // Lists current values of all %VARIABLES //- 'caption' is the display heading DEBUG /DEL %var1 %var2 ... // Drops %VARIABLES from the debug list // The DEBUG commands are a debugging aid // and have no effect on the macro processing. The screenshot shows the 'DEBUG Macro Window' that is displayed by the macro EquiEx_New_in_7.0.mac. |
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2.2 DIM, REDIM
DIM is new in 7.0 and is identical to VARIABLE. It is now possible to declare a 2-dimensional array using DIM (or VARIABLE).
If a variable array has are already been declared, it can be re-dimensioned by using the new REDIM.
DIM %A %B(4) %C(2,3) // Declares %A, %B(1) %B(2) %B(3) %B(4), // %C(1,1) %C(1,2) %C(1,3) %C(2,1) %C(2,2) %C(2,3) REDIM %A(0:2,2) // Re-dimensions %A as %A(0,1) %A(0,2) %A(1,1) %A(1,2) %A(2,1) %A(2,2)
2.3 Defining tabular values
%total = $E_sMs$ // total number of product species DIM %mole(%total) %activity(%total) // 1. Define the tabular values of activity and moles one at a time %1 = 1 TO %total %activity(%1) = $E_sa%1$ // or $E_sa(%1)$. Note () aids in the readability. %mole(%1) = $E_sm%1$ // or $E_sm(%1)$ %1 LOOP // 2. More efficient way: %activity(1:%total) = $E_sa(1:%total)$ // or $E_sa()$ or $E_sa$ %mole(1:%total) = $E_sm(1:%total)$ // or $E_sm()$ or $E_sm$ // 3. Simpler way: %activity() = $E_sa()$ // () is useful since it denotes dimensioned variables. %mole() = $E_sm()$ // ... // 4. Simplest way: %activity = $E_sa$ // This is OK but without () it is difficult to read or debug. %mole = $E_sm$ // ...
2.4 Manipulating the definition of thermochemical $..$ variables
'(' and ')' can be inserted into the thermochemical $..$ variable to improve readability.
For example, in the following lines %act refers to the calculated activity of product species 4 and %gram refers to the number of grams of element (component) 2 in mixture (solution) 3.
DIM %Index1(10) %act %gram %Index1() = $ENUM(1) // %Index1(1) = 1 ... %Index1(4) = 4 ... %Index1(10) = 10 %2 = 4 %act = $E_sa4$ // activity of product species 4 %act = $E_sa4:4$ %act = $E_sa(4:4)$ %act = $E_sa%2$ %act = $E_sa(%2)$ %act = $E_sa%Index1(4)$ %act = $E_sa(%Index1(4))$ %act = $E_sa(%Index1(%2))$ %act = $E_(sa)((%Index1(%2)))$ %5 = 2 %6 = 3 %gram = $E_e2_mg3$ // grams of element 2 in mixture 3 %gram = $E_e%5_mg%6$ %gram = $E_e2_mg(3)$ %gram = $E_e%5_mg(%6)$ %gram = $E_e(%Index1(2))_mg(%Index1(3))$2.5 OLE commands for Text Spreadsheets
An Excel Worksheet is stored in the well-known *.Xls and *Xlsx Spreadsheet files supported by Microsoft. When programming with Excel files there are numerous ways the data stored in the cells of the spreadsheet can be processed, manipulated, plotted etc. By means of Object Linking and Embedding, OLE, you can use an Equilib macro to interact with an Excel Worksheet that may already be open in another application, in which case both applications will be able to share the same work space.
In FactSage 7.0 it is also possible to create an OLE link with a Text Spreadsheet that is stored in a *.txt or *.tab text file. This type of link offers simplicity and speed when compared with the Excel Worksheet. There are often situations where the Text Spreadsheet is preferred to the Excel Worksheet especially in cases where data are simply being posted or manually entered. However data in a Text Spreadsheet cannot be shared with other applications nor can the data be manipulated by the Excel functions.
The Equilib macro processing enables you to create up to 9 simultaneous dynamic links (OLE1 to OLE9) with Excel Worksheets and/or Text Spreadsheets.
All the current OLE commands and options for an Excel Worksheet (e.g. CLOSE, QUIT, CELLS, COLUMNS, ROWS, RANGE, GOTO, AUTOFIT, BOLD TRUE, CENTER, LEFT, RIGHT, CLEAR, COLOR, FONTSTYLE, HEIGHT, SIZE, WIDTH, etc.) also work for the Text Spreadsheet. In a macro to change an Excel Worksheet to a Text Spreadsheet in most cases you only need to replace the initial OLEn declaration as shown next.
OLEn: OLEn 'ExcelFileName' ['Sheet-Name'] // Create an OLE link (n = 1 to 9) with an Excel Worksheet stored in an Excel Spreadsheet file (*.xls,*.xlsx). // ex: OLE1 MyExcel.xlsx Input - creates a link to the 'Input' Worksheet of the Excel file. OLEn 'TextFileName' ['Sheet-Name'] // Create an OLE link (n = 1 to 9) with a Text Spreadsheet stored in an ascii file (*.txt,*.tab). // ex: OLE1 MyText.txt Input - creates a link to the 'Input' Spreadsheet of the Text file.A simple example is given in the macro file EquiEx_Xls_Simple_IO.mac (this example is expanded in FactSage 7) and a more complicated one in EquiEx_CH4-O2-c.mac.
3. New $Variable functions
The new array functions $ARRAY_DIM(), $ARRAY_COUNT(), $ARRAY_LBOUND() and $ARRAY_UBOUND():
DIM %A %B(4) %C(2,3) $ARRAY_DIM(%1) // => 0 : %1 is not an array $ARRAY_DIM(%B) // => 1 : %B() is a 1-dimensional array $ARRAY_DIM(%C) // => 2 : %C() is a 2-dimensional array $ARRAY_COUNT(%B) // => 4 : %B has 4 members - %B(1) %B(2) %B(3) %B(4) $ARRAY_COUNT(%C) // => 6 : %C has 6 members - %C(1,1) %C(1,2) %C(1,3) %C(2,1) %C(2,2) %C(2,3) $ARRAY_LBOUND(%B) // => 1 : lower limit of dimension - %B(1) $ARRAY_LBOUND(%C) // => 1 : lower limit of first dimension - %C(1,*) $ARRAY_LBOUND(%C 1) // => 1 : lower limit of first dimension - %C(1,*) $ARRAY_LBOUND(%C 2) // => 1 : lower limit of second dimension - %C(*,1) $ARRAY_UBOUND(%B) // => 4 : upper limit of dimension - %B(4) $ARRAY_UBOUND(%C) // => 2 : upper limit of first dimension - %C(2,*) $ARRAY_UBOUND(%C 1) // => 2 : upper limit of first dimension - %C(2,*) $ARRAY_UBOUND(%C 2) // => 3 : upper limit of second dimension - %C(*,3)The new $ENUM() function to enumerate the members of a user-defined array - $ENUM( 'start' ['step'] )
DIM %B(4) %C(2,3) %B() = $ENUM(1) // => %B(1) = 1, %B(2) = 2, %B(3) = 3, %B(4) = 1 %B() = $ENUM(0 -2) // => %B(1) = 0, %B(2) = -2, %B(3) = -4, %B(4) = -6 %C() = $ENUM(0) // => %C(1,1) = 0, %C(1,2) = 1, ... %C(2,2) = 4, %C(2,3) = 5New $TIME() functions to post the run time -
$TIME // current time $TIME_RUN // time passed (hh:mm:ss) since the start $TIME_RUN_SECS // time passed (seconds) since the start $TIME_INTERVAL // time passed (hh:mm:ss) since last call to $TIME_INTERVAL $TIME_INTERVAL_SECS // time passed (seconds) since last call to $TIME_INTERVAL_SECS
In FactSage 7.0 it is now possible to program user-defined FUNCTIONS (e.g. $Function('arguments') and PROCEDURES (e.g. CALL SUBROUTINES) . The FUNCTIONS and PROCEDURES are listed at the end of the macro FUNCTIONS ... END FUNCTIONS and PROCEDURES ... END PROCEDURES) and may be executed from anyway with the macro.
FUNCTIONS // The format of a user-defined function is : // FUNCTION $'function name'('input parameters') // - $'function name name' is any alphanumeric description starting with $. // - 'input parameters' are values passed from the main body. // ....macro lines (where 'output variables' are defined) // $'function name' = 'value' (where the value of function is defined) // END FUNCTION FUNCTION $My-Whatever(arg1 arg2 ...) ... macro lines $My-Whatever = 'value' END FUNCTION FUNCTION $My-Another(arg1 arg2 ...) ... macro lines $My-Another = 'value' END FUNCTION END FUNCTIONS PROCEDURES // The format of a procedure is : // 'procedure name'('input parameters') // - 'procedure name' is any alphanumeric description // - 'input parameters' are values are defined in the main body. // ... macro lines where 'output variables' are defined) // END 'procedure name' SUB_CheckDim(%A) .... (macro lines) END SUB_CheckDim SUB_Another(%C) .... (macro lines) END SUB_Another END PROCEDURES
In FactSage 7.0 the stability of the module has been improved and fewer unwanted error messages are now issued. All the examples have been thoroughly checked and revised where necessary. The Slide Show has been updated with the revised examples.
The Function-Builder can be accessed through
The Functions folder is located in the FactSage folder (typically C:\FactSage\Functions). All Fact-Function-Builder files created by a user are automatically stored in this one Functions folder and have the file name Func*.dat where * is the name of the function group.
In FactSage 7.0 two examples of functions, Fe-N_Sievert and SiO2-MnO_S_capacity, that are used in the slide show are stored in the Functions folder. In addition, Equilib examples (Equi*.dat files) that employ these store functions are stored in the FactSage folder (typically c:\FactSage) - see EquiEx_FB_Fe-N_Sievert.dat and EquiEx_FB_SiO2-CaO_S-capacity.dat.
To demonstrate how functions are employed, run Equilib and load the example Ex_FB_Fe-N_Sievert located in the FactSage folder. Calculate the Equilibrium in the usual manner.
In the Equilib Results Window click on to access the Function-Builder Menu.
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In the menu
In this example nitrogen gas is equilibrated with Fe(liq) at 1600 C.
In page 1 we see p(N2) = 0.29904 atm and %N = 0.025619.
The calculated functions are posted at the top of each results page.
There are 2 calculated functions, f1 and f2 :
where f1 = %N / p(N2)1/2 = 0.468..e-01; and f2 = log10(f1) = -1.3293
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For complete details consult the Fact-Function-Builder Slide Show.
After a diagram has been displayed, you calculate the equilibrium at any position on the diagram by
selecting the 'phase equilibrium mode', and then pointing and clicking at the desired spot.
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In FactSage 7.0 you can plot isobars of a gas species or gas phase and iso-activity lines of a compound (liquid, solid).
For a compound species the isobar or iso-activity is defined in the Selection Window (activated in the Menu Window by a mouse-right-click on a 'Compound species' check box). In the Selection Window mouse-right-click on the selected species, select 'Z isobars..' and then enter the values.
The screenshots show the calculation of O2(g) isobars in the Cu-O binary systems using data from the public FScopp database.
Left: calculation of O2(g) isobars in the FeO-Fe2O3-Cr2O3
ternary system at 1300oC using data from the public FToxid database.
Right: calculation of C(s) iso-activity lines in the Fe-Cr-C ternary system using data from the public SGTE2011 database.
Left: calculation of CaF2(s) iso-activities in CaF2-NaCl-CaCl2-NaF reciprocal salt system at 1000 K
using data from the public FTsalt database.
Right: calculation of C(s) iso-activities in Fe-Cr-C-N paraequilibrium diagram
with diffusing elements N and C using data from the public SGTE2011 database.
Approximately 60 example diagrams with various X- and Y-axes are stored in Phase Diagram. To load and calculate the phase diagrams with isobars and iso-activity lines that are shown above run Phase Diagram and click on 'File > Directories > Phase diagrams with various......'. This list of examples is by no means exhaustive.
The database for the slag viscosity module has been updated to include more data for systems with fluorides and to improve the data for systems with FeO and Fe2O3.
All the public solution databases have been converted to the new solution database format.
In the FactSage Main Menu click on 'Documentation' for detailed information on the public compound and solution databases.
AlP3O9 | Ba2Ca4Si3O12 | Ba2Ca6Si4O16 | Ba2P2O7 | Ba3P2O8 | |||||
Ba3Si5O13 | Ba3SiO5 | Ba4P2O9 | Ba5Si8O21 | BaP2O6 | |||||
BaP4O11 | Ca10Si3F2O15 | Ca12Al14F2O32 | Ca2P6O17 | Ca3Mg3(PO4)4 | |||||
Ca4Al6F2O12 | Ca4Mg2P6O21 | Ca4P2O9 | Ca4P6O19 | Ca5P2SiO12 | |||||
Ca5Si2F2O8 | Ca7P2Si2O16 | (CaO)2(Al2O3)(B2O3) | CaP4O11 | Fe10P6O26 | |||||
Fe18P2O24 | Fe2P2O7 | Fe2P6O18 | Fe3P2O8 | Fe4P2O10 | |||||
Fe4P6O21 | Fe6P2O14 | Fe7P6O24 | FeP2O6 | K2AlF5 | |||||
K2SiF6 | K3SiF7 | K4SiO4 | KAl4F13 | KAlF4 | |||||
Li2SiF6 | Li3NaSiO4 | Li3PO4 | Li4P2O7 | Li5P3O10 | |||||
Li8ZrO6 | LiPO3 | Mg2P2O7 | Mg3SiF2O4 | Mg5Si2F2O8 | |||||
Mg9Si4F2O16 | MgP2O6 | MgP4O11 | Mn2P2O7 | Mn3P2O8 | |||||
MnP2O6 | Na10SiO7 | Na12Mg4P10O35 | Na18Si6P4O31 | Na2Ca2P2O8 | |||||
Na2Ca2Si2O7 | Na2Ca3Al16O28 | Na2Ca8Al6O18 | Na2CaP2O7 | Na2CaSiO4 | |||||
Na2FeO2 | Na2FeSiO4 | Na2MgP2O7 | Na2MgP4O12 | Na2S3 | |||||
Na2SiF6 | Na3Fe5O9 | Na3FeO3 | Na3MgP3O10 | Na4CaP6O18 | |||||
Na4FeO3 | Na4MgP6O18 | Na4P2O7 | Na5FeO4 | Na5FeSi4O12 | |||||
Na5P3O10 | Na5Si2PO9 | Na8Ca3Si5O17 | Na8Fe2O7 | Na8Fe6Si15O40 | |||||
NaCaP3O9 | NaFe2O3 | NaFeSi2O6 | NaMgP3O9 | NaMgPO4 | |||||
NaPO3 | P2O5 | P2SiO7 | P4Si3O16 | SiAl2F2O4 |
Ag2CO3 | (Ag2O)(WO3) | Ag2Te | Al2(SO4)3 | Al2Se3 | |||||
AlPO4 | As2S2 | As2Te3 | AsF5 | AsTe | |||||
AuSn | AuTe2 | (BaO)(Al2O3) | (BaO)(UO3) | (BaO)3(Al2O3) | |||||
Bi2(SO4)3 | BiCl | BiF | C2H6 | Ca2P2O7 | |||||
Ca3Sb2 | CaAl2B2O7 | (CaO)(MoO3) | (CaO)(SiO2)2(H2O)2 | (CaO)2(V2O5) | |||||
CaOCl2 | CdCO3 | (CdO)(Al2O3) | (CdO)(Ga2O3) | (CdO)(SiO2) | |||||
(CdO)(TiO2) | CdSe | Ce2C3 | Ce2S3 | Ce3S4 | |||||
CH3OH | Co2Al5 | Co2B | Co3N | CoB | |||||
CoI2 | CoSb2 | CoSb3 | CoSeO3 | CoSn | |||||
CrCl2 | CrI3 | Cs2CO3 | Cu5FeS4 | CuSO4 | |||||
CuTe | DyCl3 | Fe2O3(H2O) | Fe3Mo2 | Fe4N | |||||
FeTe2 | Ga2O | GaAs | GaBr3 | GaCl3 | |||||
GaI3 | GaN | GaS | GaSe | GeCl4 | |||||
GeH4 | GeS2 | GeSe | GeSe2 | H2SO4 | |||||
H2SO4(H2O) | H2SO4(H2O)2 | H2SO4(H2O)3 | H2SO4(H2O)4 | (H2SO4)2(H2O)13 | |||||
H2Te | HfB2 | Hg2SO4 | HgSeO3 | HOOH | |||||
In2(SO4)3 | In2O3 | In2S3 | In2Se3 | In2Te | |||||
In2Te3 | In5S6 | InAs | InBr | InBr3 | |||||
InI | InN | InP | InS | InSb | |||||
InSe | InTe | Ir2S3 | IrBr3 | IrCl3 | |||||
IrF6 | IrI | IrI2 | IrO3 | IrS2 | |||||
K2HPO4 | KAl(SO4)2(H2O)12 | La2S3 | La2Se3 | La2Te3 | |||||
LaH2 | LaMg | LaN | LaOCl | LaS | |||||
LaSe | (Li2O)(ZrO2) | (Li2O)2(SiO2) | Li2Se | Mg(OH)Cl | |||||
Mg2Pb | (MgO)(MoO3) | (MgO)(V2O5) | (MgO)2(V2O5) | MgSe | |||||
MgSeO3 | MgTe | Mn2Sb | Mn3C | Mn4N | |||||
Mn5N2 | Mn7C3 | MnB | MnBr2 | MnCO3 | |||||
MnF2 | MnI2 | (MnO)(MoO3) | (MnO)(WO3) | MnP | |||||
MnP3 | MnS | MnS2 | MnSe | MnSn2 | |||||
MnSO4 | MnTe | MnTe2 | Mo(CO)6 | Mo2C | |||||
Mo2N | MoO2Cl2 | MoS3 | N2O5 | Na2Ca3Si6O16 | |||||
Na2CaSi5O12 | Na2CrO4 | Na2Mg2Si6O15 | (Na2O)(MoO3) | Na2Te | |||||
Na2Ti2O5 | Na4CaSi3O9 | NaAlSi2O6H2O | NaHCO3 | NaTe | |||||
NaTe3 | Nb2N | Nb5Si3 | NbB2 | NbCl2 | |||||
NbCl3 | NbCl4 | NbCr2 | NbN | NbO2Cl | |||||
NbOCl2 | NbOCl3 | NbSi2 | Nd2(SO4)3 | (Nd2O3)(ZrO2)2 | |||||
Nd2S3 | Nd2Se3 | Nd2Te3 | NdH2 | NdOCl | |||||
Ni2Al3 | Ni2P | Ni3Al | Ni3C | Ni3P | |||||
Ni3Sn | Ni3Sn2 | Ni5P2 | NiAl | NiAs | |||||
NiB | NiBi | NiBr2 | NiCO3 | NiI2 | |||||
(NiO)(Al2O3) | (NiO)(TiO2) | (NiO)(WO3) | NiSb | NiSe2 | |||||
NiSeO3 | NiSO4 | NpCl3 | NpCl4 | NpF3 | |||||
NpO2 | NpO3(H2O) | NpOCl2 | OPCl3 | OsO2 | |||||
OsO4 | OsP2 | OsS2 | OsSe2 | P4S5 | |||||
PbCO3 | PbI2 | (PbO)(MoO3) | (PbO)(PbCO3) | (PbO)(TiO2) | |||||
(PbO)(WO3) | (PbO)2(PbSO4) | (PbO)3(PbSO4) | (PbO)4(PbSO4) | PbOPbSO4 | |||||
PBr3 | PbSe | PbSeO3 | PbSeO4 | PbTe | |||||
Pd4S | PdCl2 | PdF2 | PdO | PdS | |||||
PdS2 | PdTe | PI3 | Pr3S4 | Pr6O11 | |||||
Pr7O12 | PrH2 | PrO2 | Pt5Se4 | PtBr2 | |||||
PtBr3 | PtBr4 | PtCl2 | PtCl3 | PtCl4 | |||||
PtI4 | PtO2 | PtS | PtS2 | Pu(SO4)2 | |||||
Pu2C3 | Pu2S3 | Pu8C7 | PuBr3 | PuC2 | |||||
PuCl3 | PuF4 | PuF6 | PuH2 | PuH3 | |||||
PuI3 | PuN | PuO2 | PuOBr | PuOCl | |||||
PuOF | PuOI | PuS | (Rb2O)(SiO2) | (Rb2O)(SiO2)2 | |||||
(Rb2O)(SiO2)4 | Re2S7 | Re2Te5 | Re3As7 | Re5Si3 | |||||
ReBr3 | ReCl3 | ReO2 | ReO3 | ReS2 | |||||
ReSi | ReSi2 | Rh2O3 | RhCl3 | RhO2 | |||||
RuCl3 | RuCl4 | RuF5 | RuO2 | RuO3 | |||||
RuO4 | RuS2 | RuSe2 | Sb2(SO4)3 | Sb2O5 | |||||
Sb2Se3 | Sb2Te3 | SbBr3 | SbCl3 | SbCl5 | |||||
SbH3 | SbI3 | SbO | SbOCl | SbS | |||||
SbSe | ScBr3 | ScCl3 | ScN | SeF4 | |||||
SeF5 | SeF6 | SeO | SeO2 | Si2H6 | |||||
SiSe | (Sm2O3)(ZrO2)2 | SmCl3 | SmOF | Sn2S3 | |||||
Sn3S4 | SnBr2 | SnBr4 | SnCl2 | SnCl4 | |||||
SnH4 | SnI2 | SnO | SnSe | SnSe2 | |||||
SnTe | SOCl2 | Sr3(AsO4)2 | Sr3N2 | SrC2 | |||||
SrCO3 | SrH2 | (SrO)(MoO3) | (SrO)(SiO2) | (SrO)(TiO2) | |||||
(SrO)(WO3) | (SrO)(ZrO2) | (SrO)2(TiO2) | (SrO)4(TiO2)3 | SrO2 | |||||
Ta2C | Ta2Cl5 | Ta2N | TaB2 | TaCl4 | |||||
TaCl5 | TaCr2 | TaF5 | TaI5 | TaN | |||||
TaO2Cl | TaOCl3 | TaS | TaS2 | Tb6O11 | |||||
Tb7O12 | TbO2 | TbS | TcO2 | TcO3 | |||||
Te2O2 | TeCl2 | TeCl4 | TeF4 | TeF6 | |||||
TeO | TeO2 | Th(SO4)2 | Th2S3 | Th3N4 | |||||
Th3P4 | Th3Si2 | Th3Si5 | ThCl4 | ThF4 | |||||
ThH2 | ThMg2 | ThN | ThO | ThO2 | |||||
ThOBr2 | ThOCl2 | ThOF2 | ThOI2 | ThP | |||||
ThRe2 | ThS | ThS2 | ThSi | ThSi2 | |||||
TiCl3 | TiS | TiS2 | Tl2O3 | Tl2Se | |||||
Tl2SO4 | Tl2Te | TlBr | TlCl3 | TlI | |||||
U(SO4)2 | U14C27 | U2C3 | U2F9 | U2S3 | |||||
U3Ge5 | U3O8 | U3Si | U3Si2 | U3Si5 | |||||
U4F17 | U5Ge3 | UAl4 | UB12 | UB2 | |||||
UB4 | UBr3 | UC | UCd11 | UCl3 | |||||
UCl4 | UCl5 | UCl6 | UF4 | UF6 | |||||
UGe | UGe2 | UGe3 | UH3 | UI3 | |||||
UN | UO2Br2 | UO2Cl2 | UO2F2 | UO3 | |||||
UO3(H2O) | UOBr2 | UOBr3 | UOCl | UOCl2 | |||||
UOCl3 | URh3 | URu3 | US | US2 | |||||
USe | USi | USi2 | USi3 | V2C | |||||
VBr2 | VBr3 | VBr4 | VCl3 | VCl4 | |||||
VF3 | VF4 | VF5 | VI3 | VOCl3 | |||||
W(CO)6 | W10O29 | W2C | WO2I2 | WS2 | |||||
WSi2 | Y2O3 | (Y2O3)(ZrO2)2 | YbCl2 | YF3 | |||||
YI3 | YN | YRe2 | Zn3(AsO4)2 | Zn3N2 | |||||
ZnBr2 | ZnCl2 | ZnCO3 | (ZnO)(WO3) | (ZnO)2(TiO2) | |||||
ZnP2 | ZnSe | ZnSeO3 | ZnSO4(H2O) | ZnSO4(H2O)2 | |||||
ZnSO4(H2O)6 | ZnSO4(H2O)7 | ZrS | ZrS2 |
No updates relative to FactSage 6.4 apart from conversion to the new solution database format.
No updates relative to FactSage 6.4 apart from conversion to the new solution database format.
No updates relative to FactSage 6.4 apart from conversion to the new solution database format.
The systems Na2O-Al2O3-CaO-SiO2 and K2O-Al2O3-SiO2 have recently been re-evaluated and re-optimized. The binary systems Na2O-X and K2O-X have been evaluated/optimized for X = Al2O3, SiO2 and TiO2, and the liquid solution is assumed ideal for X = CaO, MgO and MnO. This is intended for evaluation of the effect of Na2O and K2O on equilibria between liquid slag and iron/steel. However, only rough estimation can be made for the liquidus in multicomponent Na2O- and K2O-containing systems that are far from the optimized subsystems mentioned above.
Na was added to the melilite solid solution, which was combined with the gehlenite solid solution. This allows evaluation of the solubility of Na and B in melilite.
Several other solid solutions have been added to the database, such as nepheline, carnegeite, combeite, kalsilite, NaAlO2 and KAlO2. See detailed descriptions of these solutions by clicking on “Description of Solutions” in the documentation for FToxid.
The systems BaO-CaO, BaO-SiO2, BaO-CaO-SiO2, BaO-MnO and BaO-CaO-MnO have recently been optimized for evaluation of the effect of BaO on equilibria between liquid slag and iron/steel. Several Ba-containing solid solutions have been added to the database, such as BaSiO3, Ba3SiO5, CaSiO3-rich pseudo-wollastonite, walstromite [Ca,Ba][Ba,Ca]CaSi3O9 and T-phase Ba2Ca(Ba,Ca)Si2O8. Ba has also been added to monoxide, wollastonite, alpha-prime Ca2SiO4 and alpha Ca2SiO4 solutions. See detailed descriptions of these solutions by clicking on “Description of Solutions” in the documentation for FToxid.
For the system P2O5-SiO2-Al2O3-CaO-MgO-BaO-FeOx-MnO-Na2O, all binary P2O5-containing subsystems have been recently evaluated and optimized. In addition, the key subsystems CaO-MgO-P2O5, CaO-SiO2-P2O5, CaO-Al2O3-P2O5 and CaO-FeO-Fe2O3-P2O5 have been optimized and the subsystems Na2O-CaO-P2O5, Na2O-MgO-P2O5 and Na2O-SiO2-P2O5 have been approximately evaluated. This can be used for evaluation of the effect of P2O5 on equilibria among liquid slag, iron/steel and gas (solution FeLQ from the FTmisc database should be used for liquid iron/steel).
Liquidus calculations for P2O5-containing systems that substantially deviate from the optimized subsystems mentioned above may be not accurate.
All binary, ternary and higher order subsystems of the (Ca,Na,Al,Si//O,F) and (Ca,Mg,Al,Si//O,F) systems have been optimized and the results are included into an additional slag solution, which is called FToxid-OXFL. The database can accurately calculate phase equilibria up to more than 50% of fluorides. The calculations can be less accurate when both MgO and Na2O are present in high concentrations (> 20% each). The database can be used even for fluoride systems without oxides, but it is less accurate than the FTsalt database. See detailed descriptions of FToxid-SLAG and FToxid-OXFL.
Feldspar solution NaAlSi3O8 – KAlSi3O8 – CaAl2Si2O8 has been added to the database.
Thermodynamic properties of melilite in the following subsystems have been optimized: (Ca,Pb)2[Mg,Fe(II),Fe(III),Al,Zn]{Al,Fe(III),Si}2O7, (Ca,Na)2[Al]{Al,Si}2O7 and (Ca)2[Mg,Al,B]{Al,B,Si}2O7. See detailed description of FToxid-Mel_ by clicking on “Description of Solutions”.
No updates relative to FactSage 6.4 apart from conversion to the new solution database format.
No updates relative to FactSage 6.4 apart from conversion to the new solution database format.
Th, U, Np, Pu, Am
+ Zr, Fe, Ru, Ba + Li, Na, K, Rb, Cs
+ C, N, O, I
+ He, Ne, Ar, Kr, Xe, Rn
C-Mn, Fe-Si, Mo-Ti, N-Si, Ni-Si
C-Cr-Fe, C-Cr-Mn, C-Cr-Si, C-Cr-Ti, C-Fe-Mn, C-Fe-W, C-Mn-Si, C-Mn-V, C-Mo-Ti, C-Mo-V, C-N-Ti, C-Ni-Si, C-Ni-Ti, C-Ni-W, C-V-W, Cr-Fe-Mn, Cr-Fe-W, Cr-Mn-N, Cr-Mn-Ni, Cr-Mn-Ti, Cr-Mo-N, Cr-N-N, Cr-N-W, Fe-Mn-N, Fe-Mn-Ni, Fe-Ni-Si, Fe-Ni-Ti, Mn-Ni-V, N-Si-Ti
C-Cr-Fe-Mn, C-Cr-Fe-W, C-Cr-Mo-V, Cr-Fe-Mn-N
The 78 elements included in the database are:
From among these elements, there are some 577 completely assessed binary alloy systems, of which over 32 are newly assessed systems and many others have been revised or amended on the basis of newly published experimental information. The database also includes about 141 ternary and 15 higher-order systems for which assessed parameters are available for phases of practical relevance. The systems now incorporate approximately 317 different solution phases and 1166 stoichiometric intermetallic compound phases.
This version of the SGTE Solution Database thus represents a significantly upgraded general alloy database. The database is intended to provide a sound basis for calculations relating to the production, heat treatment, constitution, and application of a wide range of alloy types.
The systems involved are:
Ag-B, Ag-Mn, Al-Pt, Au-Be, Au-Ce, Au-Fe, Au-Ta, B-Pt, Ca-Pd, Ce-Pt, Cu-Mn, Fe-Mn, Ge-Pt, Mg-Pd, Nb-Pd, Pb-Pt, Pd-V, Pd-Zr, Pt-W
Ag-Co-Pd, Ag-Cr-Pd, Ag-Cu-Mn, Ag-Fe-Mn, Ag-Fe-Ni, Ag-Fe-Pd, Ag-Ir-Pd, Au-Fe-Ni
Me1-Me2-C, Me1-Me2-N, Me1-Me2-B, Me1-Me2-Si, Me-C-N, Me-C-B, Me-C-Si, Me-N-B, Me-N-Si and Me-B-Si systems.
B, C, N, Si with
Al, Ca, Co, Cr, Fe, Hf, Mg, Mn, Mo, Nb, Ni, Re, Sc, Ta, Tc, Ti, V, W, Y, Zr
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